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PubMed code 23347803

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429190
PNG
(CHEMBL2331623)
Show SMILES COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(Br)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23BrN2O2S/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
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n/an/an/an/a 3.70E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50374731
PNG
(CHEMBL260599)
Show SMILES COc1cc2CCN(CC\C=C3/CCCc4c(OC)cccc34)Cc2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,8-9,11,15-16H,4,6-7,10,12-14,17H2,1-3H3/b18-8+
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n/an/an/an/a 2.80E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429196
PNG
(CHEMBL2338107)
Show SMILES COc1cc2CCN(Cc3coc(n3)-c3ccc4ccccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H24N2O3/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
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n/an/an/an/a 2.30E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429189
PNG
(CHEMBL2338489)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)cs1
Show InChI InChI=1S/C26H26N2O3S/c1-29-23-7-6-17-10-20(5-4-18(17)11-23)26-27-22(16-32-26)15-28-9-8-19-12-24(30-2)25(31-3)13-21(19)14-28/h4-7,10-13,16H,8-9,14-15H2,1-3H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429190
PNG
(CHEMBL2331623)
Show SMILES COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(Br)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23BrN2O2S/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429191
PNG
(CHEMBL2338111)
Show SMILES COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(O)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-29-23-11-18-7-8-27(13-20(18)12-24(23)30-2)14-21-15-31-25(26-21)19-4-3-17-10-22(28)6-5-16(17)9-19/h3-6,9-12,15,28H,7-8,13-14H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429193
PNG
(CHEMBL2338106)
Show SMILES COc1ccc2cc(ccc2c1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)o1
Show InChI InChI=1S/C27H27NO4/c1-29-23-7-6-18-12-21(5-4-19(18)13-23)25-9-8-24(32-25)17-28-11-10-20-14-26(30-2)27(31-3)15-22(20)16-28/h4-9,12-15H,10-11,16-17H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429194
PNG
(CHEMBL2338105)
Show SMILES COc1cc2CCN(Cc3ccc(o3)-c3ccc4ccccc4c3)Cc2cc1OC
Show InChI InChI=1S/C26H25NO3/c1-28-25-14-20-11-12-27(16-22(20)15-26(25)29-2)17-23-9-10-24(30-23)21-8-7-18-5-3-4-6-19(18)13-21/h3-10,13-15H,11-12,16-17H2,1-2H3
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n/an/an/an/a 7.10E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429197
PNG
(CHEMBL2338108)
Show SMILES COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23FN2O3/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
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n/an/an/an/a 5.20E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429199
PNG
(CHEMBL2338113)
Show SMILES COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23FN2O2S/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
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n/an/an/an/a 4.80E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50374731
PNG
(CHEMBL260599)
Show SMILES COc1cc2CCN(CC\C=C3/CCCc4c(OC)cccc34)Cc2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,8-9,11,15-16H,4,6-7,10,12-14,17H2,1-3H3/b18-8+
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n/an/an/an/a 1.50E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50429195
PNG
(CHEMBL260505)
Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC
Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3
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n/an/an/an/a 7.30E+4n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at BCRP (unknown origin) expressed in MDCK cells assessed as interference with rhodamine-123 efflux

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429196
PNG
(CHEMBL2338107)
Show SMILES COc1cc2CCN(Cc3coc(n3)-c3ccc4ccccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H24N2O3/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
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n/an/an/an/a 3.32E+4n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429198
PNG
(CHEMBL2338110)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)co1
Show InChI InChI=1S/C26H26N2O4/c1-29-23-7-6-17-10-20(5-4-18(17)11-23)26-27-22(16-32-26)15-28-9-8-19-12-24(30-2)25(31-3)13-21(19)14-28/h4-7,10-13,16H,8-9,14-15H2,1-3H3
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n/an/an/an/a 600n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429200
PNG
(CHEMBL2338112)
Show SMILES COc1cc2CCN(Cc3csc(n3)-c3ccc4ccccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H24N2O2S/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
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n/an/an/an/a 3.20E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429192
PNG
(CHEMBL2338109)
Show SMILES COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(Br)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23BrN2O3/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
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n/an/an/an/a 1.80E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429189
PNG
(CHEMBL2338489)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)cs1
Show InChI InChI=1S/C26H26N2O3S/c1-29-23-7-6-17-10-20(5-4-18(17)11-23)26-27-22(16-32-26)15-28-9-8-19-12-24(30-2)25(31-3)13-21(19)14-28/h4-7,10-13,16H,8-9,14-15H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429198
PNG
(CHEMBL2338110)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)co1
Show InChI InChI=1S/C26H26N2O4/c1-29-23-7-6-17-10-20(5-4-18(17)11-23)26-27-22(16-32-26)15-28-9-8-19-12-24(30-2)25(31-3)13-21(19)14-28/h4-7,10-13,16H,8-9,14-15H2,1-3H3
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n/an/an/an/a 1.47E+4n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429199
PNG
(CHEMBL2338113)
Show SMILES COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23FN2O2S/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
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n/an/an/an/a 8.80E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429200
PNG
(CHEMBL2338112)
Show SMILES COc1cc2CCN(Cc3csc(n3)-c3ccc4ccccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H24N2O2S/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
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n/an/an/an/a 3.50E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429191
PNG
(CHEMBL2338111)
Show SMILES COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(O)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H24N2O4/c1-29-23-11-18-7-8-27(13-20(18)12-24(23)30-2)14-21-15-31-25(26-21)19-4-3-17-10-22(28)6-5-16(17)9-19/h3-6,9-12,15,28H,7-8,13-14H2,1-2H3
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n/an/an/an/a 2.80E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429195
PNG
(CHEMBL260505)
Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC
Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3
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n/an/an/an/a 690n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50353279
PNG
(CHEMBL1830683 | CHEMBL259582)
Show SMILES COc1cc2CCN(CCCC3CCCc4c(OC)cccc34)Cc2cc1OC
Show InChI InChI=1S/C25H33NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,9,11,15-16,18H,4,6-8,10,12-14,17H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429192
PNG
(CHEMBL2338109)
Show SMILES COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(Br)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23BrN2O3/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429194
PNG
(CHEMBL2338105)
Show SMILES COc1cc2CCN(Cc3ccc(o3)-c3ccc4ccccc4c3)Cc2cc1OC
Show InChI InChI=1S/C26H25NO3/c1-28-25-14-20-11-12-27(16-22(20)15-26(25)29-2)17-23-9-10-24(30-23)21-8-7-18-5-3-4-6-19(18)13-21/h3-10,13-15H,11-12,16-17H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429197
PNG
(CHEMBL2338108)
Show SMILES COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC
Show InChI InChI=1S/C25H23FN2O3/c1-29-23-11-18-7-8-28(13-20(18)12-24(23)30-2)14-22-15-31-25(27-22)19-4-3-17-10-21(26)6-5-16(17)9-19/h3-6,9-12,15H,7-8,13-14H2,1-2H3
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n/an/an/an/a 3.18E+4n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50429195
PNG
(CHEMBL260505)
Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC
Show InChI InChI=1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3
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n/an/an/an/a 9.30E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am additi...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50353279
PNG
(CHEMBL1830683 | CHEMBL259582)
Show SMILES COc1cc2CCN(CCCC3CCCc4c(OC)cccc34)Cc2cc1OC
Show InChI InChI=1S/C25H33NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,9,11,15-16,18H,4,6-8,10,12-14,17H2,1-3H3
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n/an/an/an/a 6.35E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50429193
PNG
(CHEMBL2338106)
Show SMILES COc1ccc2cc(ccc2c1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)o1
Show InChI InChI=1S/C27H27NO4/c1-29-23-7-6-18-12-21(5-4-19(18)13-23)25-9-8-24(32-25)17-28-11-10-20-14-26(30-2)27(31-3)15-22(20)16-28/h4-9,12-15H,10-11,16-17H2,1-3H3
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n/an/an/an/a 2.90E+3n/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am a...

Bioorg Med Chem 21: 1324-32 (2013)


Article DOI: 10.1016/j.bmc.2012.12.021
BindingDB Entry DOI: 10.7270/Q2HH6MDJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%